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The increasing need for accurate and unified analysis of diverse biological signals, such as ECG and EEG, is paramount for comprehensive patient assessment, especially in synchronous monitoring. Despite advances in multi-sensor fusion, a…
The success of the self-attention mechanism in classical machine learning models has inspired the development of quantum analogs aimed at reducing computational overhead. Self-attention integrates learnable query and key matrices to…
Transformer models typically calculate attention matrices using dot products, which have limitations when capturing nonlinear relationships between embedding vectors. We propose Neural Attention, a technique that replaces dot products with…
Attention mechanisms are a central property of cognitive systems allowing them to selectively deploy cognitive resources in a flexible manner. Attention has been long studied in the neurosciences and there are numerous phenomenological…
Intelligence necessitates memory. Without memory, humans fail to perform various nontrivial tasks such as reading novels, playing games or solving maths. As the ultimate goal of machine learning is to derive intelligent systems that learn…
Attention mechanism is effective in both focusing the deep learning models on relevant features and interpreting them. However, attentions may be unreliable since the networks that generate them are often trained in a weakly-supervised…
Attention is an important mechanism that can be employed for a variety of deep learning models across many different domains and tasks. This survey provides an overview of the most important attention mechanisms proposed in the literature.…
Predicting compound-protein affinity is critical for accelerating drug discovery. Recent progress made by machine learning focuses on accuracy but leaves much to be desired for interpretability. Through molecular contacts underlying…
The rise and fall of artificial neural networks is well documented in the scientific literature of both computer science and computational chemistry. Yet almost two decades later, we are now seeing a resurgence of interest in deep learning,…
Chemical representation learning has gained increasing interest due to the limited availability of supervised data in fields such as drug and materials design. This interest particularly extends to chemical language representation learning,…
This study assesses the efficiency of several popular machine learning approaches in the prediction of molecular binding affinity: CatBoost, Graph Attention Neural Network, and Bidirectional Encoder Representations from Transformers. The…
Multi-task learning for molecular property prediction is becoming increasingly important in drug discovery. However, in contrast to other domains, the performance of multi-task learning in drug discovery is still not satisfying as the…
Accurately predicting molecular properties is a challenging but essential task in drug discovery. Recently, many mono-modal deep learning methods have been successfully applied to molecular property prediction. However, the inherent…
Deep learning has become a powerful tool for medical image analysis; however, conventional Convolutional Neural Networks (CNNs) often fail to capture the fine-grained and complex features critical for accurate diagnosis. To address this…
Electroencephalography (EEG)-based emotion recognition plays a critical role in affective computing and emerging decision-support systems, yet remains challenging due to high-dimensional, noisy, and subject-dependent signals. This study…
Attention networks have proven to be an effective approach for embedding categorical inference within a deep neural network. However, for many tasks we may want to model richer structural dependencies without abandoning end-to-end training.…
Predicting bioactivity and physical properties of small molecules is a central challenge in drug discovery. Deep learning is becoming the method of choice but studies to date focus on mean accuracy as the main metric. However, to replace…
Robust and efficient learning remains a challenging problem in robotics, in particular with complex visual inputs. Inspired by human attention mechanism, with which we quickly process complex visual scenes and react to changes in the…
The recent works on a deep learning (DL)-based joint design of preamble set for the transmitters and data-aided active user detection (AUD) in the receiver has demonstrated a significant performance improvement for grant-free sparse code…
Machine learning (ML) plays an important role in quantum chemistry, providing fast-to-evaluate predictive models for various properties of molecules. However, most existing ML models for molecular electronic properties use density…